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Enumerating a virtual library [message #1067]

Sun, 13 September 2020 08:13

amorrison
Messages: 38
Registered: March 2016

Member

Hi,
After doing a core based SAR analysis I get cores and R-groups for the compounds that are present. What I would like to do would be to then take these R-groups and enumerate them all to build a virtual library of the full R-group matrix, so that I could calculate for example properties of the virtual compounds. Is there any to do this that would avoid having to draw each r-grp and core in a virtual reaction?
Many thanks,
Angus

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		Enumerating a virtual library By: amorrison on Sun, 13 September 2020 08:13
		Re: Enumerating a virtual library By: thomas on Sun, 13 September 2020 11:47

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